potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane

C23H34KN6O2P — CID 157064169

IUPACpotassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane
SMILESCC(C)(C)[O-].NNc1ccccc1.Nc1ccn(-c2ccccc2)n1.P.[C-]#[N+]/C=C/OC.[K+]
InChIInChI=1S/C9H9N3.C6H8N2.C4H5NO.C4H9O.K.H3P/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;7-8-6-4-2-1-3-5-6;1-5-3-4-6-2;1-4(2,3)5;;/h1-7H,(H2,10,11);1-5,8H,7H2;3-4H,2H3;1-3H3;;1H3/q;;;-1;+1;/b;;4-3+;;;
InChIKeyABRHOWLECUIULX-JUIPNNLMSA-N
MW496.64 g/mol
LogP0.66
Rot. Bonds3

About potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane

potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane (PubChem CID 157064169) has the molecular formula C23H34KN6O2P and a molecular weight of 496.64 g/mol. Its IUPAC name is potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane.

Molecular Properties

Compound Namepotassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane
PubChem CID157064169
Molecular FormulaC23H34KN6O2P
Molecular Weight496.64 g/mol
Exact Mass496.21
IUPAC Namepotassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane
SMILESCC(C)(C)[O-].NNc1ccccc1.Nc1ccn(-c2ccccc2)n1.P.[C-]#[N+]/C=C/OC.[K+]
InChIInChI=1S/C9H9N3.C6H8N2.C4H5NO.C4H9O.K.H3P/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;7-8-6-4-2-1-3-5-6;1-5-3-4-6-2;1-4(2,3)5;;/h1-7H,(H2,10,11);1-5,8H,7H2;3-4H,2H3;1-3H3;;1H3/q;;;-1;+1;/b;;4-3+;;;
InChIKeyABRHOWLECUIULX-JUIPNNLMSA-N
XLogP0.66
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-Phenylpyrazol-3-yl)hydrazine
CID 151714970
ethanol;(E)-3-ethoxyprop-2-enenitrile;(2-fluorophenyl)hydrazine;1-(2-fluorophenyl)pyrazol-3-amine;hydrochloride
CID 157082508
5-Amino-1-phenylpyrazole-4-carbonitrile;deuterium monohydride;ethane;2-(ethoxymethylidene)propanedinitrile;methane;phenylhydrazine
CID 160946053
2-Phenyl-3,4-dihydropyrazol-5-amine;1-phenylpyrazol-3-amine
CID 161686616
methane;(E)-3-methoxyprop-2-enenitrile;phenylhydrazine;1-phenylpyrazol-3-amine
CID 161971906
ethanol;(E)-3-ethoxyprop-2-enenitrile;(2-fluorophenyl)hydrazine;1-phenylpyrazol-3-amine;hydrochloride
CID 162067432
Phenylhydrazine;1-phenylpyrazol-3-amine
CID 162232993
potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane
CID 165091086
1-Phenyl-2-(1-phenylpyrazol-3-yl)hydrazine
CID 174863484

Frequently Asked Questions

What is the IUPAC name of potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
The IUPAC name of potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane (CID 157064169) is potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane.
What is the SMILES notation for potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
The canonical SMILES for potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane is CC(C)(C)[O-].NNc1ccccc1.Nc1ccn(-c2ccccc2)n1.P.[C-]#[N+]/C=C/OC.[K+].
What is the InChIKey of potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
The InChIKey is ABRHOWLECUIULX-JUIPNNLMSA-N. The full InChI is InChI=1S/C9H9N3.C6H8N2.C4H5NO.C4H9O.K.H3P/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;7-8-6-4-2-1-3-5-6;1-5-3-4-6-2;1-4(2,3)5;;/h1-7H,(H2,10,11);1-5,8H,7H2;3-4H,2H3;1-3H3;;1H3/q;;;-1;+1;/b;;4-3+;;;.
What are the key properties of potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane has a molecular weight of 496.64 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(E)-1-isocyano-2-methoxyethene;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane is sourced from PubChem (CID 157064169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).